6-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C19H16N4O3S/c1-12(27-19-22-20-11-23(19)14-5-3-2-4-6-14)18(25)13-7-8-16-15(9-13)21-17(24)10-26-16/h2-9,11-12H,10H2,1H3,(H,21,24)